2-[4-(difluoromethyl)-2-methyl-3-methylsulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole

C14H17F2NOS — CID 135371190

IUPAC2-[4-(difluoromethyl)-2-methyl-3-methylsulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCSc1c(C(F)F)ccc(C2=NC(C)(C)CO2)c1C
InChIInChI=1S/C14H17F2NOS/c1-8-9(13-17-14(2,3)7-18-13)5-6-10(12(15)16)11(8)19-4/h5-6,12H,7H2,1-4H3
InChIKeyJTPPBPIYSMUWJV-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.21
Rot. Bonds3

About 2-[4-(difluoromethyl)-2-methyl-3-methylsulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[4-(difluoromethyl)-2-methyl-3-methylsulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 135371190) has the molecular formula C14H17F2NOS and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-2-methyl-3-methylsulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-2-methyl-3-methylsulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID135371190
Molecular FormulaC14H17F2NOS
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name2-[4-(difluoromethyl)-2-methyl-3-methylsulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCSc1c(C(F)F)ccc(C2=NC(C)(C)CO2)c1C
InChIInChI=1S/C14H17F2NOS/c1-8-9(13-17-14(2,3)7-18-13)5-6-10(12(15)16)11(8)19-4/h5-6,12H,7H2,1-4H3
InChIKeyJTPPBPIYSMUWJV-UHFFFAOYSA-N
XLogP4.21
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-2-methyl-3-methylsulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[4-(difluoromethyl)-2-methyl-3-methylsulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 135371190) is 2-[4-(difluoromethyl)-2-methyl-3-methylsulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[4-(difluoromethyl)-2-methyl-3-methylsulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[4-(difluoromethyl)-2-methyl-3-methylsulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole is CSc1c(C(F)F)ccc(C2=NC(C)(C)CO2)c1C.
What is the InChIKey of 2-[4-(difluoromethyl)-2-methyl-3-methylsulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is JTPPBPIYSMUWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NOS/c1-8-9(13-17-14(2,3)7-18-13)5-6-10(12(15)16)11(8)19-4/h5-6,12H,7H2,1-4H3.
What are the key properties of 2-[4-(difluoromethyl)-2-methyl-3-methylsulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[4-(difluoromethyl)-2-methyl-3-methylsulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 285.36 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-2-methyl-3-methylsulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 135371190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).